(5-chloranyl-2,3-dimethoxy-phenyl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: (5-chloranyl-2,3-dimethoxy-phenyl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: (5-chloro-2,3-dimethoxy-phenyl)methyl-(2-furylmethyl)-(3-pyridylmethyl)ammonium CAS Name: (5-chloro-2,3-dimethoxyphenyl)methyl-(2-furanylmethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: (5-chloro-2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: (5-chloro-2,3-dimethoxy-benzyl)-(2-furfuryl)-(3-pyridylmethyl)ammonium Formula: C20H22ClN2O3+ MolecularWeight: 373.85328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Cl)C[NH+](CC2=CN=CC=C2)CC3=CC=CO3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Cl)C[NH+](CC2=CN=CC=C2)CC3=CC=CO3)OC

InChI

InChI=1S/C20H21ClN2O3/c1-24-19-10-17(21)9-16(20(19)25-2)13-23(14-18-6-4-8-26-18)12-15-5-3-7-22-11-15/h3-11H,12-14H2,1-2H3/p+1